Basic information
- CAS
106985-58-4- Standard SMILES
COP([O-])(=S)Oc1cc(Cl)c(Br)cc1Cl.C[N+](C)(C)C- InChIKey
GYJWKUOUELNYJC-UHFFFAOYSA-M- Molecular formula
- C11H17BrCl2NO3PS
- Average molar mass
- 425.1 g/mol
- Monoisotopic mass
- 422.92272
Names & identifiers
- Preferred name
- N,N,N-Trimethylmethanaminium O-(4-bromo-2,5-dichlorophenyl) O-methyl phosphorothioate
- IUPAC
- (4-bromo-2,5-dichlorophenoxy)-methoxy-oxido-sulfanylidene-λ5-phosphane;tetramethylazanium
Names & synonyms
N,N,N-Trimethylmethanaminium O-(4-bromo-2,5-dichlorophenyl) O-methyl phosphorothioate106985-58-4Demethylbromophos tetramethylammonium saltMethanaminium, N,N,N-trimethyl-, O-(4-bromo-2,5-dichlorophenyl) O-methyl phosphorothioateDTXSID70910203AKOS024351135ST50975686(4-bromo-2,5-dichlorophenoxy)methoxyphosphinothioxo-1-ol, tetramethylamine
Database identifiers
- CAS
106985-58-4- PubChem CID
- 60176
- DTXSID
DTXSID70910203
Properties
Computed structural properties
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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